methyl 2-[2-(phenethylcarbamothioylamino)ethanoylamino]hexanoate

Systemtic Name: methyl 2-[2-(phenethylcarbamothioylamino)ethanoylamino]hexanoate Openeye Name: methyl 2-[[2-(phenethylcarbamothioylamino)acetyl]amino]hexanoate CAS Name: 2-[[1-oxo-2-[[(phenethylamino)-sulfanylidenemethyl]amino]ethyl]amino]hexanoic acid methyl ester IUPAC Name: methyl 2-[[2-(phenethylcarbamothioylamino)acetyl]amino]hexanoate Traditional Name: 2-[[2-(phenethylthiocarbamoylamino)acetyl]amino]hexanoic acid methyl ester Formula: C18H27N3O3S MolecularWeight: 365.49028

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C(=O)OC)NC(=O)CNC(=S)NCCC1=CC=CC=C1

Isomeric SMILES

CCCCC(C(=O)OC)NC(=O)CNC(=S)NCCC1=CC=CC=C1

InChI

InChI=1S/C18H27N3O3S/c1-3-4-10-15(17(23)24-2)21-16(22)13-20-18(25)19-12-11-14-8-6-5-7-9-14/h5-9,15H,3-4,10-13H2,1-2H3,(H,21,22)(H2,19,20,25)